Materials Data on TbAgAs2 by Materials Project

Abstract

TbAgAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Tb–As bond distances ranging from 2.96–3.15 Å. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.83 Å. There are a spread of Ag–As bond distances ranging from 2.80–2.82 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent As2- atoms. There are two shorter (2.66 Å) and two longer (3.01 Å) As–As bond lengths. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Ag1+ atoms.